Skip to content
Licensed Unlicensed Requires Authentication Published by De Gruyter February 23, 2019

Modelling of Thermodynamic Pressure – Composition – Temperature Relationships in the Systems of Metallic Hydride Forming Materials with Gaseous Hydrogen Using C++ Software

Mapula Lucey Moropeng ORCID logo, Andrei Kolesnikov ORCID logo, Mykhaylo Lototskyy and Avhafunani Mavhungu

Abstract

In this paper, the solution of the Lacher model describing the relationship between the Pressure – Composition, and Temperature (PCT diagrams) of AB5 type metal-hydrides (LaNi4.8Sn0.2, LmNi4.91Sn0.15, LaNi4.5Al0.5) for hydrogen storage using C ++ platform, with the help of a numerical method of nonlinear equation, Newton-Raphson method is presented. This study focuses on the development of a C ++ code to describe the iteration of Newton-Raphson for application in Hydrogen to Metal-Hydride systems.

Acknowledgements

This work received a financial support from the National Research Foundation (NRF), Thuthuka Grant, and Grant number: TTK150611119278. The authors gratefully acknowledge the Department of Chemical, Metallurgical and Materials Engineering of the Tshwane University of Technology for hosting this project, and the HYSA Systems from the University of the Western Cape (DST-funded project KP3-S02) for their contribution.

A Appendix 1

References

[1] Nakagawa T, Inomata A, Aoki A, Miura T. Numerical analysis of heat and mass transfer characteristics in the metal hydride bed. Int J Hydrogen Energy. 2000;25:339–50.10.1016/S0360-3199(99)00036-1Search in Google Scholar

[2] Raju M, Kumar S. System simulation modeling and heat transfer in sodium alanate based hydrogen storage systems. Int J Hydrogen Energy. 2011;36:1578–91.10.1016/j.ijhydene.2010.10.100Search in Google Scholar

[3] Gambini M, Manno M, Vellini M. Numerical analysis and performance assessment of metal hydride-based hydrogen storage systems. Int J Hydrogen Energy. 2008;22:6178–87.10.1016/j.ijhydene.2008.08.006Search in Google Scholar

[4] Mayer U, Groll M, Supper W. Heat and mass transfer in metal hydride reaction beds: experimental and theoretical results. J Less- Common Met. 1987;131:235–44.10.1016/0022-5088(87)90523-6Search in Google Scholar

[5] Gopal MR, Murthy SS. Studies on heat and mass transfer in metal hydride beds. Int J Hydrogen Energy. 1995;20:911–17.10.1016/0360-3199(95)00026-ASearch in Google Scholar

[6] Lototskky MV, Yartys VA, Marinin VS, Lototskky NM. Modelling of phase equilibria in metal–hydrogen systems. J Alloys Compd. 2003;21:356–7.10.1016/S0925-8388(03)00095-1Search in Google Scholar

[7] Eijndhoven S 2017. “Mathematical models in industrial context, Design of mathematical models”, Source [online]. Available: Mathematical models in industrial context https://static.tue.nl/uploads/media/2.1Mat.pdf.Search in Google Scholar

[8] Bjurstrom H, Suda S, Lewis D. A numerical expression for the P-C-T properties of metal hydrides. J Less-Common Met. 1987;130:365.10.1016/0022-5088(87)90130-5Search in Google Scholar

[9] Quarteroni A. Mathematical models in science and engineering. Am Math Soc. 2009;56:10–19.Search in Google Scholar

[10] Ioan M 2015. “Mathematical modeling by using a C++ software.” International Conference of Scientific Paper, Afases Brasov, 28–30 May 2015.Search in Google Scholar

[11] Lototskky MV. New model of phase equilibria in metal - hydrogen systems: features and software. Int J Hydrogen Energy. 2016;41:2739–61.10.1016/j.ijhydene.2015.12.055Search in Google Scholar

[12] Jemni A, Nasrallah SB. Study of two-dimensional heat and mass transfer during absorption in a metal-hydrogen reactor. Int J Hydrogen Energy. 1995;20:43–52.10.1016/0360-3199(93)E0007-8Search in Google Scholar

[13] Kierstead HA. Theory of multiplateau hydrogen absorption isotherms. J Less-Common Met. 1980;71:303–9.10.1016/0022-5088(80)90213-1Search in Google Scholar

[14] Sharma VK, Kumar EA, Maiya MP. Experimental and theoretical studies on static and dynamic pressure – concentration isotherms of MmNi5-xAlx (x = 0, 0.3, 0.5 and 0.8) hydrides. Int J Hydrogen Energy. 2014;39:18940–51.10.1016/j.ijhydene.2014.09.028Search in Google Scholar

[15] Sharma VK, Kumar EA. Metal hydrides for energy applications – classification, PCI characterization and Simulation. Int J Energy Res. 2016;41:901–23.10.1002/er.3668Search in Google Scholar

[16] Paya J, Linder M, Laurien E, Corberan JM. Mathematical model for the P-C-T characterization of hydrogen absorbing alloys. J Alloys Compd. 2009;484:190–5.10.1016/j.jallcom.2009.05.069Search in Google Scholar

[17] Førde T, Maehlen JP, Yartys VA, Lototskky MV, Uchida H. Influence of intrinsic hydrogenation/dehydrogenation kinetics on the dynamic behaviour of metal hydrides:A semi-empirical model and its verification. Int J Hydrogen Energy. 2007;322:1041–9.10.1016/j.ijhydene.2006.07.015Search in Google Scholar

[18] Mohammadshahi SS, Mac A, Gray E, Webb CJ. A review of mathematical modelling of metal hydride systems for hydrogen storage applications. Int J Hydrogen Energy. 2016;41:3470–84.10.1016/j.ijhydene.2015.12.079Search in Google Scholar

[19] Lacher JR. A theoretical formula for the solubility of hydrogen in palladium. Proc Roy Soc. (London) A. 1937;161:525–45.10.1098/rspa.1937.0160Search in Google Scholar

[20] Lototskky MV. A modification of the Lacher - Kierstead theory for simulation of PCT-diagrams of real “hydrogen - hydride-forming material” systems. Kharkov Univ Bull, Chem Series 477. 2000;5:45–53.Search in Google Scholar

[21] Lototskky MV, Tolj I, Pickering L, Sita C, Barbir F, Yartys V. The use of metal hydrides in fuel cell applications. Prog Nat Sci: Mat Int. 2017;27:3–20.10.1016/j.pnsc.2017.01.008Search in Google Scholar

Received: 2018-08-29
Revised: 2019-01-18
Accepted: 2019-01-18
Published Online: 2019-02-23

© 2019 Walter de Gruyter GmbH, Berlin/Boston